6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H24FN5O2 — CID 136681942

About 6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136681942) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136681942
• Molecular Formula: C24H24FN5O2
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.19
• IUPAC Name: 6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2
• InChI: InChI=1S/C24H24FN5O2/c25-18-7-2-1-6-16(18)14-29-13-10-19-17(15-29)23(31)28-22(27-19)21-9-5-12-30(21)24(32)20-8-3-4-11-26-20/h1-4,6-8,11,21H,5,9-10,12-15H2,(H,27,28,31)/t21-/m1/s1
• InChIKey: QAEBGLCSMOJLRU-OAQYLSRUSA-N
• XLogP: 2.84
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136681942) is 6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2.

What is the InChIKey of 6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is QAEBGLCSMOJLRU-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24FN5O2/c25-18-7-2-1-6-16(18)14-29-13-10-19-17(15-29)23(31)28-22(27-19)21-9-5-12-30(21)24(32)20-8-3-4-11-26-20/h1-4,6-8,11,21H,5,9-10,12-15H2,(H,27,28,31)/t21-/m1/s1.

What are the key properties of 6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 433.49 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136681942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).